Compound Detail
CHEMBL137979
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Basic Information
| ChEMBL ID | CHEMBL137979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQLWUHZFNYOSNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.18
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.73 | 8.73 | 1.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.87 | nM | 8.73 | Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-p... | 11784148 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 302.0 | nM | 6.52 | Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguani... | 11784148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784148 | 10.1021/jm010992z | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine